N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

C17H12ClN5OS — CID 108739126

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nc3ccc(Cl)cc3s2)cnn1-c1ccccn1
InChIInChI=1S/C17H12ClN5OS/c1-10-12(9-20-23(10)15-4-2-3-7-19-15)16(24)22-17-21-13-6-5-11(18)8-14(13)25-17/h2-9H,1H3,(H,21,22,24)
InChIKeyRTBFMMRLPHGHNB-UHFFFAOYSA-N
MW369.84 g/mol
LogP4.09
Rot. Bonds3

About N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 108739126) has the molecular formula C17H12ClN5OS and a molecular weight of 369.84 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID108739126
Molecular FormulaC17H12ClN5OS
Molecular Weight369.84 g/mol
Exact Mass369.05
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nc3ccc(Cl)cc3s2)cnn1-c1ccccn1
InChIInChI=1S/C17H12ClN5OS/c1-10-12(9-20-23(10)15-4-2-3-7-19-15)16(24)22-17-21-13-6-5-11(18)8-14(13)25-17/h2-9H,1H3,(H,21,22,24)
InChIKeyRTBFMMRLPHGHNB-UHFFFAOYSA-N
XLogP4.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.84
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39092966
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 43952222
5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39102158
5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide
CID 108791910
N-(2,5-difluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 24825171
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108738299
N-(2-fluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944125
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692949
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 29277984
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43952268
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 43980540

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 108739126) is N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2nc3ccc(Cl)cc3s2)cnn1-c1ccccn1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is RTBFMMRLPHGHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5OS/c1-10-12(9-20-23(10)15-4-2-3-7-19-15)16(24)22-17-21-13-6-5-11(18)8-14(13)25-17/h2-9H,1H3,(H,21,22,24).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 369.84 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108739126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).